3-methoxy-1-(methylideneamino)-4-oxopyridine-2-carboxamide

C8H9N3O3 — CID 167469397

IUPAC3-methoxy-1-(methylideneamino)-4-oxopyridine-2-carboxamide
SMILESC=Nn1ccc(=O)c(OC)c1C(N)=O
InChIInChI=1S/C8H9N3O3/c1-10-11-4-3-5(12)7(14-2)6(11)8(9)13/h3-4H,1H2,2H3,(H2,9,13)
InChIKeyVPSVSQZRJSPBDN-UHFFFAOYSA-N
MW195.18 g/mol
LogP-0.58
Rot. Bonds3

About 3-methoxy-1-(methylideneamino)-4-oxopyridine-2-carboxamide

3-methoxy-1-(methylideneamino)-4-oxopyridine-2-carboxamide (PubChem CID 167469397) has the molecular formula C8H9N3O3 and a molecular weight of 195.18 g/mol. Its IUPAC name is 3-methoxy-1-(methylideneamino)-4-oxopyridine-2-carboxamide.

Molecular Properties

Compound Name3-methoxy-1-(methylideneamino)-4-oxopyridine-2-carboxamide
PubChem CID167469397
Molecular FormulaC8H9N3O3
Molecular Weight195.18 g/mol
Exact Mass195.06
IUPAC Name3-methoxy-1-(methylideneamino)-4-oxopyridine-2-carboxamide
SMILESC=Nn1ccc(=O)c(OC)c1C(N)=O
InChIInChI=1S/C8H9N3O3/c1-10-11-4-3-5(12)7(14-2)6(11)8(9)13/h3-4H,1H2,2H3,(H2,9,13)
InChIKeyVPSVSQZRJSPBDN-UHFFFAOYSA-N
XLogP-0.58
TPSA86.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-methoxy-1-(methylideneamino)-4-oxopyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-butoxy-4-oxo-1H-pyridine-2-carboxamide
CID 70820350
1-Amino-3-butoxy-4-oxopyridine-2-carboxamide
CID 70820351
3-(methylsulfanylmethoxy)-4-oxo-1H-pyridine-2-carboxamide
CID 117957230
1-Amino-3-methoxy-N-methyl-4-oxo-1,4-dihydropyridine-2-carboxamide
CID 162689055
1-Amino-3-methoxy-4-oxopyridine-2-carboxamide
CID 167469428

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(methylideneamino)-4-oxopyridine-2-carboxamide?
The IUPAC name of 3-methoxy-1-(methylideneamino)-4-oxopyridine-2-carboxamide (CID 167469397) is 3-methoxy-1-(methylideneamino)-4-oxopyridine-2-carboxamide.
What is the SMILES notation for 3-methoxy-1-(methylideneamino)-4-oxopyridine-2-carboxamide?
The canonical SMILES for 3-methoxy-1-(methylideneamino)-4-oxopyridine-2-carboxamide is C=Nn1ccc(=O)c(OC)c1C(N)=O.
What is the InChIKey of 3-methoxy-1-(methylideneamino)-4-oxopyridine-2-carboxamide?
The InChIKey is VPSVSQZRJSPBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3/c1-10-11-4-3-5(12)7(14-2)6(11)8(9)13/h3-4H,1H2,2H3,(H2,9,13).
What are the key properties of 3-methoxy-1-(methylideneamino)-4-oxopyridine-2-carboxamide?
3-methoxy-1-(methylideneamino)-4-oxopyridine-2-carboxamide has a molecular weight of 195.18 g/mol, XLogP of -0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(methylideneamino)-4-oxopyridine-2-carboxamide is sourced from PubChem (CID 167469397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).